4-BROMOPHENYL ISOTHIOCYANATE Chemical Properties

Melting point:

56-58 °C (lit.)

Boiling point:

144-145 °C (5 mmHg)

Density 

1.7158 (rough estimate)

refractive index 

1.6070 (estimate)

Flash point:

>110°C

storage temp. 

Refrigerator (+4°C)

form 

powder to crystal

color 

White to Orange to Green

Water Solubility 

11.56mg/L(25 ºC)

Sensitive 

Moisture Sensitive

BRN 

878549

InChIKey

XQACWEBGSZBLRG-UHFFFAOYSA-N

CAS DataBase Reference

1985-12-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi,C

Risk Statements 

20/21/22-36/37/38-42

Safety Statements 

22-26-36/37-45

RIDADR 

2811

WGK Germany 

3

RTECS 

NX8400000

F 

10-21

Hazard Note 

Harmful/Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29309090

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-BROMOPHENYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties

white to light yellow crystalline powder

Uses

4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione.

Purification Methods

Recrystallise the isothiocyanate from boiling n-hexane. Any insoluble material is most probably the corresponding urea. It is also purified by steam distillation, cool the receiver, add NaCl and extract in Et2O, wash the extract with N H2SO4, dry (MgSO4), evaporate and recrystallise the residual solid. [Cymerman-Craig et al. Org Synth Coll Vol IV 700 1963, cf Dains et al. Org Synth Coll Vol I 447 1941, Beilstein 6 IV 1051, 12 II 354, 12 III 1463p, 12 IV 1519.]

4-BROMOPHENYL ISOTHIOCYANATE(1985-12-2)Related Product Information

• Phenyl isothiocyanate
• Fluorescein isothiocyanate isomer I
• Guanidine thiocyanate
• PROPYL ISOTHIOCYANATE
• BENZYL ISOTHIOCYANATE
• ISOBUTYL ISOTHIOCYANATE
• Methyl isothiocyanate
• Butyl isothiocyanate
• 2,4-DIBROMO-6-FLUOROPHENYL ISOTHIOCYANATE
• 4-BROMOPHENYL ISOTHIOCYANATE
• 4-BROMO-2-METHYLPHENYL ISOTHIOCYANATE
• 4-BROMO-2,6-DIMETHYLPHENYL ISOTHIOCYANATE
• 4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE
• 4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
• 2,4,6-TRIBROMOPHENYL ISOTHIOCYANATE
• 3-BROMOPHENYL ISOTHIOCYANATE 97%,3-BROMOPHENYL ISOTHIOCYANATE,M-BROMOPHENYL ISOTHIOCYANATE
• 2-BROMOPHENYL ISOTHIOCYANATE,O-BROMOPHENYL ISOTHIOCYANATE
• Bromobenzene